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C15

Summary
Name:N-DODECYL-N,N-DIMETHYL-3-AMMONIO-1-PROPANESULFONATE
Formula:C17 H38 N O3 S
Formal charge:1
Formula weight:336.554 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N,N-dimethyl-N-(3-sulfopropyl)dodecan-1-aminium
OpenEye OEToolkits1.5.0dodecyl-dimethyl-(3-sulfopropyl)azanium

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(O)CCC[N+](C)(CCCCCCCCCCCC)C
SMILES_CANONICALCACTVS3.341CCCCCCCCCCCC[N+](C)(C)CCC[S](O)(=O)=O
SMILESCACTVS3.341CCCCCCCCCCCC[N+](C)(C)CCC[S](O)(=O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O
SMILESOpenEye OEToolkits1.5.0CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O
InChIInChI1.03InChI=1S/C17H37NO3S/c1-4-5-6-7-8-9-10-11-12-13-15-18(2,3)16-14-17-22(19,20)21/h4-17H2,1-3H3/p+1
InChIKeyInChI1.03IZWSFJTYBVKZNK-UHFFFAOYSA-O

218853

PDB entries from 2024-04-24

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